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VPZ

VPZ
Name:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-[3,5-bis(chloranyl)-4-fluoranyl-phenyl]sulfanyl-6-(hydroxymethyl)-4-[4-(1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol
Formula:	C17 H15 Cl2 F N4 O4 S2
SMILES:	OC[CH]1O[CH](Sc2cc(Cl)c(F)c(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4sccn4
InChi:	InChI=1S/C17H15Cl2FN4O4S2/c18-8-3-7(4-9(19)12(8)20)30-17-15(27)13(14(26)11(6-25)28-17)24-5-10(22-23-24)16-21-1-2-29-16/h1-5,11,13-15,17,25-27H,6H2/t11-,13+,14+,15-,17-/m1/s1
Definition date:	2023-03-24
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-[3,5-bis(chloranyl)-4-fluoranyl-phenyl]sulfanyl-6-(hydroxymethyl)-4-[4-(1,3-thiazol-2-yl)-1,2,3-triazol-1-yl]oxane-3,5-diol

X5L

X5L
Name:	(2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{S})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid
Formula:	C13 H25 N3 O7 S2
SMILES:	CC(C)[CH](NC(=O)[CH](CS)NC(=O)CCC[CH](N)C(O)=O)[S](O)(=O)=O
InChi:	InChI=1S/C13H25N3O7S2/c1-7(2)12(25(21,22)23)16-11(18)9(6-24)15-10(17)5-3-4-8(14)13(19)20/h7-9,12,24H,3-6,14H2,1-2H3,(H,15,17)(H,16,18)(H,19,20)(H,21,22,23)/t8-,9-,12-/m0/s1
Definition date:	2023-05-31
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(2~{S})-2-azanyl-6-[[(2~{R})-1-[[(1~{S})-2-methyl-1-sulfo-propyl]amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid

UJ0

UJ0
Name:	N-[(1R)-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-cyclopropyl-prop-2-enamide
Formula:	C19 H22 F2 N2 O2
SMILES:	Fc1cc(F)cc(c1)[CH](N(C2CC2)C(=O)C=C)C(=O)NC3CCCC3
InChi:	InChI=1S/C19H22F2N2O2/c1-2-17(24)23(16-7-8-16)18(12-9-13(20)11-14(21)10-12)19(25)22-15-5-3-4-6-15/h2,9-11,15-16,18H,1,3-8H2,(H,22,25)/t18-/m1/s1
Definition date:	2023-06-07
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	~{N}-[(1~{R})-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-~{N}-cyclopropyl-prop-2-enamide

UK9

UK9
Name:	7,8-bis(oxidanyl)-2-phenyl-chromen-4-one
Formula:	C15 H10 O4
SMILES:	Oc1ccc2C(=O)C=C(Oc2c1O)c3ccccc3
InChi:	InChI=1S/C15H10O4/c16-11-7-6-10-12(17)8-13(19-15(10)14(11)18)9-4-2-1-3-5-9/h1-8,16,18H
Definition date:	2023-09-06
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	7,8-bis(oxidanyl)-2-phenyl-chromen-4-one

X8K

X8K
Name:	4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile
Formula:	C25 H20 N4 O2
SMILES:	O=C(N1CCOCC1)c2ccc(cc2)c3ccc4ncc(n4c3)c5ccc(cc5)C#N
InChi:	InChI=1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2
Definition date:	2023-06-06
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	4-[6-(4-morpholin-4-ylcarbonylphenyl)imidazo[1,2-a]pyridin-3-yl]benzenecarbonitrile

Y5U

Y5U
Name:	(2M,2'M)-2,2'-(selenophene-2,5-diyl)di(1H-benzimidazole-6-carboximidamide)
Formula:	C20 H16 N8 Se
SMILES:	N=C(N)c1ccc2nc([NH]c2c1)c1ccc([se]1)c1[NH]c2cc(ccc2n1)C(=N)N
InChi:	InChI=1S/C20H16N8Se/c21-17(22)9-1-3-11-13(7-9)27-19(25-11)15-5-6-16(29-15)20-26-12-4-2-10(18(23)24)8-14(12)28-20/h1-8H,(H3,21,22)(H3,23,24)(H,25,27)(H,26,28)
Definition date:	2023-06-12
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(2M,2'M)-2,2'-(selenophene-2,5-diyl)di(1H-benzimidazole-6-carboximidamide)

WRX

WRX
Name:	(2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide
Formula:	C28 H30 F2 N4 O4 S
SMILES:	Fc1ccc(C[CH](NC(=O)[CH]2CCCCN2[S](=O)(=O)Cc3ccc(F)cc3)C(=O)NCc4cccnc4)cc1
InChi:	InChI=1S/C28H30F2N4O4S/c29-23-10-6-20(7-11-23)16-25(27(35)32-18-22-4-3-14-31-17-22)33-28(36)26-5-1-2-15-34(26)39(37,38)19-21-8-12-24(30)13-9-21/h3-4,6-14,17,25-26H,1-2,5,15-16,18-19H2,(H,32,35)(H,33,36)/t25-,26-/m0/s1
Definition date:	2023-05-17
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-3-(4-fluorophenyl)-1-oxidanylidene-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-2-carboxamide

W9N

W9N
Name:	1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one
Formula:	C31 H33 N7 O2
SMILES:	Cn1cnc2cc(ccc12)Oc1ccc(cc1C)c1nn(c2ncnc(C)c21)C1CC2CCC(C1)N2C(=O)CC
InChi:	InChI=1S/C31H33N7O2/c1-5-28(39)37-21-7-8-22(37)14-23(13-21)38-31-29(19(3)32-16-33-31)30(35-38)20-6-11-27(18(2)12-20)40-24-9-10-26-25(15-24)34-17-36(26)4/h6,9-12,15-17,21-23H,5,7-8,13-14H2,1-4H3/t21-,22+,23+
Definition date:	2023-09-27
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one

WS5

WS5
Name:	(2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)pentan-2-yl]piperidine-2-carboxamide
Formula:	C25 H33 F N4 O4 S
SMILES:	CC(C)C[CH](NC(=O)[CH]1CCCCN1[S](=O)(=O)Cc2ccc(F)cc2)C(=O)NCc3cccnc3
InChi:	InChI=1S/C25H33FN4O4S/c1-18(2)14-22(24(31)28-16-20-6-5-12-27-15-20)29-25(32)23-7-3-4-13-30(23)35(33,34)17-19-8-10-21(26)11-9-19/h5-6,8-12,15,18,22-23H,3-4,7,13-14,16-17H2,1-2H3,(H,28,31)(H,29,32)/t22-,23-/m0/s1
Definition date:	2023-05-17
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(2~{S})-1-[(4-fluorophenyl)methylsulfonyl]-~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-(pyridin-3-ylmethylamino)pentan-2-yl]piperidine-2-carboxamide

XB3

XB3
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
Formula:	C42 H47 N9 O16 P2
SMILES:	Cc1cc2c(cc1C)N1C(O)CC(c3ccc(cc3)c3ccccc3)C11C(=O)NC(=O)N=C1N2CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C42H47N9O16P2/c1-20-12-26-27(13-21(20)2)51-31(54)14-25(24-10-8-23(9-11-24)22-6-4-3-5-7-22)42(51)39(47-41(59)48-40(42)58)49(26)15-28(52)33(55)29(53)16-64-68(60,61)67-69(62,63)65-17-30-34(56)35(57)38(66-30)50-19-46-32-36(43)44-18-45-37(32)50/h3-13,18-19,25,28-31,33-35,38,52-57H,14-17H2,1-2H3,(H,60,61)(H,62,63)(H2,43,44,45)(H,48,58,59)/t25-,28-,29+,30+,31+,33-,34+,35+,38+,42-/m0/s1
Definition date:	2022-11-09
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)

XB6

XB6
Name:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
Formula:	C42 H47 N9 O16 P2
SMILES:	Cc1cc2c(cc1C)N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(n3cnc4c(N)ncnc43)C(O)C1O)C=1NC(=O)NC(=O)C=1N2C(=O)CCc1ccc(cc1)c1ccccc1
InChi:	InChI=1S/C42H47N9O16P2/c1-21-14-26-27(15-22(21)2)51(31(54)13-10-23-8-11-25(12-9-23)24-6-4-3-5-7-24)33-39(47-42(59)48-40(33)58)49(26)16-28(52)34(55)29(53)17-64-68(60,61)67-69(62,63)65-18-30-35(56)36(57)41(66-30)50-20-46-32-37(43)44-19-45-38(32)50/h3-9,11-12,14-15,19-20,28-30,34-36,41,52-53,55-57H,10,13,16-18H2,1-2H3,(H,60,61)(H,62,63)(H2,43,44,45)(H2,47,48,58,59)/t28-,29+,30+,34-,35+,36+,41+/m0/s1
Definition date:	2022-11-09
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)

WC5

WC5
Name:	PROTOPORPHYRIN(CF3)2 CONTAINING FE
Formula:	C32 H26 F6 Fe N4 O4
SMILES:	CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(C)c3C(F)(F)F)C(=C6C(F)(F)F)C)C(=C(CCC(O)=O)C5=C2)C
InChi:	InChI=1S/C32H28F6N4O4.Fe/c1-13-17(5-7-27(43)44)23-12-24-18(6-8-28(45)46)14(2)20(40-24)11-26-30(32(36,37)38)16(4)22(42-26)9-21-15(3)29(31(33,34)35)25(41-21)10-19(13)39-23
Definition date:	2023-09-22
Last modified:	2024-06-07
Release date:	2024-06-12

WUT

WUT
Name:	9~{H}-purine
Formula:	C5 H4 N4
SMILES:	[nH]1cnc2cncnc12
InChi:	InChI=1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
Definition date:	2023-05-19
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	9~{H}-purine

XBW

XBW
Name:	~{N}-(phenylmethyl)pyridine-2-carboxamide
Formula:	C13 H12 N2 O
SMILES:	O=C(NCc1ccccc1)c2ccccn2
InChi:	InChI=1S/C13H12N2O/c16-13(12-8-4-5-9-14-12)15-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
Definition date:	2023-06-06
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	~{N}-(phenylmethyl)pyridine-2-carboxamide

R8L

R8L
Name:	(E)-3-[2-[(2R,3S)-3-[(1R)-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid
Formula:	C15 H17 N O5
SMILES:	CC[CH](OC(N)=O)[CH]1O[CH]1c2ccccc2C=CC(O)=O
InChi:	InChI=1S/C15H17NO5/c1-2-11(20-15(16)19)14-13(21-14)10-6-4-3-5-9(10)7-8-12(17)18/h3-8,11,13-14H,2H2,1H3,(H2,16,19)(H,17,18)/b8-7+/t11-,13-,14+/m1/s1
Definition date:	2023-09-05
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(~{E})-3-[2-[(2~{R},3~{S})-3-[(1~{R})-1-aminocarbonyloxypropyl]oxiran-2-yl]phenyl]prop-2-enoic acid

A1AHO

A1AHO
Name:	(1S,2R,4S)-N-(cyclopropylmethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
Formula:	C29 H29 N O6 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(CC1CC1)c1ccc(OC)cc1
InChi:	InChI=1S/C29H29NO6S/c1-35-24-14-8-21(9-15-24)30(17-18-2-3-18)37(33,34)26-16-25-27(19-4-10-22(31)11-5-19)28(29(26)36-25)20-6-12-23(32)13-7-20/h4-15,18,25-26,29,31-32H,2-3,16-17H2,1H3/t25-,26+,29+/m0/s1
Definition date:	2024-03-08
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(1S,2R,4S)-N-(cyclopropylmethyl)-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide

A1AHU

A1AHU
Name:	4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol
Formula:	C27 H25 N O5 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N1CCCc2ccccc21
InChi:	InChI=1S/C27H25NO5S/c29-20-11-7-18(8-12-20)25-23-16-24(27(33-23)26(25)19-9-13-21(30)14-10-19)34(31,32)28-15-3-5-17-4-1-2-6-22(17)28/h1-2,4,6-14,23-24,27,29-30H,3,5,15-16H2/t23-,24+,27+/m0/s1
Definition date:	2024-03-11
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	4,4'-[(1S,4S,5R)-5-(3,4-dihydroquinoline-1(2H)-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol

A1AHV

A1AHV
Name:	4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol
Formula:	C26 H23 N O5 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N1CCc2ccccc21
InChi:	InChI=1S/C26H23NO5S/c28-19-9-5-17(6-10-19)24-22-15-23(26(32-22)25(24)18-7-11-20(29)12-8-18)33(30,31)27-14-13-16-3-1-2-4-21(16)27/h1-12,22-23,26,28-29H,13-15H2/t22-,23+,26+/m1/s1
Definition date:	2024-03-11
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	4,4'-[(1R,4R,5S)-5-(2,3-dihydro-1H-indole-1-sulfonyl)-7-oxabicyclo[2.2.1]hept-2-ene-2,3-diyl]diphenol

A1AHY

A1AHY
Name:	(1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
Formula:	C31 H33 N O6 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(c1ccc(OC)cc1)C1CCCCC1
InChi:	InChI=1S/C31H33NO6S/c1-37-26-17-11-23(12-18-26)32(22-5-3-2-4-6-22)39(35,36)28-19-27-29(20-7-13-24(33)14-8-20)30(31(28)38-27)21-9-15-25(34)16-10-21/h7-18,22,27-28,31,33-34H,2-6,19H2,1H3/t27-,28+,31+/m1/s1
Definition date:	2024-03-11
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(1R,2S,4R)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide

A1AHZ

A1AHZ
Name:	(1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
Formula:	C31 H33 N O6 S
SMILES:	O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(O)cc1)N(c1ccc(OC)cc1)C1CCCCC1
InChi:	InChI=1S/C31H33NO6S/c1-37-26-17-11-23(12-18-26)32(22-5-3-2-4-6-22)39(35,36)28-19-27-29(20-7-13-24(33)14-8-20)30(31(28)38-27)21-9-15-25(34)16-10-21/h7-18,22,27-28,31,33-34H,2-6,19H2,1H3/t27-,28+,31+/m0/s1
Definition date:	2024-03-11
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(1S,2R,4S)-N-cyclohexyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide

A1ALA

A1ALA
Name:	1H-indol-6-amine
Formula:	C8 H8 N2
SMILES:	Nc1ccc2cc[NH]c2c1
InChi:	InChI=1S/C8H8N2/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H,9H2
Definition date:	2024-04-08
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	1H-indol-6-amine

A1ALB

A1ALB
Name:	3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
Formula:	C12 H9 N3 O
SMILES:	Nc1cccc(c1)c1nc2ncccc2o1
InChi:	InChI=1S/C12H9N3O/c13-9-4-1-3-8(7-9)12-15-11-10(16-12)5-2-6-14-11/h1-7H,13H2
Definition date:	2024-04-08
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline

A1AOH

A1AOH
Name:	(2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name)
Formula:	C42 H55 N7 O6 S
SMILES:	CC(=O)N(C)C(C(C)C)C(=O)NC1Cc2nc(cs2)c2ccc3n(CC)c(c4cccnc4C(C)OC)c(CC(C)(C)COC(=O)C4CCCN(N4)C1=O)c3c2
InChi:	InChI=1S/C42H55N7O6S/c1-10-48-34-16-15-27-19-29(34)30(38(48)28-13-11-17-43-36(28)25(4)54-9)21-42(6,7)23-55-41(53)31-14-12-18-49(46-31)40(52)32(20-35-44-33(27)22-56-35)45-39(51)37(24(2)3)47(8)26(5)50/h11,13,15-17,19,22,24-25,31-32,37,46H,10,12,14,18,20-21,23H2,1-9H3,(H,45,51)/t25-,31+,32-,37?/m0/s1
Definition date:	2024-04-19
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name)

A1D46

A1D46
Name:	3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one
Formula:	C21 H20 N4 O2
SMILES:	O=C1Nc2cccc(OC3CCNCC3)c2C1=Cc4ccc5[nH]cnc5c4
InChi:	InChI=1S/C21H20N4O2/c26-21-15(10-13-4-5-16-18(11-13)24-12-23-16)20-17(25-21)2-1-3-19(20)27-14-6-8-22-9-7-14/h1-5,10-12,14,22H,6-9H2,(H,23,24)(H,25,26)
Synonyms:	(Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-(piperidin-4-yloxy)indolin-2-one
Definition date:	2023-12-21
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	3-(1~{H}-benzimidazol-5-ylmethylidene)-4-piperidin-4-yloxy-1~{H}-indol-2-one

A1D47

A1D47
Name:	(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one
Formula:	C21 H19 N3 O3
SMILES:	O=C1Nc2cccc(OC3CCOCC3)c2C1=Cc4ccc5[nH]cnc5c4
InChi:	InChI=1S/C21H19N3O3/c25-21-15(10-13-4-5-16-18(11-13)23-12-22-16)20-17(24-21)2-1-3-19(20)27-14-6-8-26-9-7-14/h1-5,10-12,14H,6-9H2,(H,22,23)(H,24,25)/b15-10-
Synonyms:	(Z)-3-((1H-benzo[d]imidazol-5-yl)methylene)-4-((tetrahydro-2H-pyran-4-yl)oxy)indolin-2-one
Definition date:	2023-12-21
Last modified:	2024-06-07
Release date:	2024-06-12
Identifier:	(3~{Z})-3-(1~{H}-benzimidazol-5-ylmethylidene)-4-(oxan-4-yloxy)-1~{H}-indol-2-one

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